SCHEMBL25944381

SCHEMBL25944381

CCOC(=O)c1c(CN)n(C(C)C)c2cc(Br)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM1A O60341 1/20 0.41
SMAD3 P84022 2/20 0.41
APAF1 O14727 2/20 0.41
LMNA P02545 2/20 0.41
ESR1 P03372 1/20 0.40
ELANE P08246 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25944378 0.89 ATM (0.46) ATMSMN1; SMN2ALDH1A1KDM1ASMAD3
SCHEMBL25944377 0.85 ATM (0.61) ATMSMN1; SMN2ALDH1A1KDM1ASMAD3
SCHEMBL25942412 0.84 TSHR (0.48) SMN1; SMN2ALDH1A1KDM1ASMAD3APAF1
SCHEMBL25944380 0.83 ATM (0.41) ATMSMN1; SMN2ALDH1A1KDM1ASMAD3
SCHEMBL25944383 0.80 AAK1 (0.39) ATMSMN1; SMN2ALDH1A1KDM1ASMAD3
SCHEMBL25944690 0.80 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNAELANEKDM4E
SCHEMBL25941571 0.77 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1LMNAELANEKDM4E
SCHEMBL30633775 0.76 LMNA (0.47) ATMSMN1; SMN2ALDH1A1KDM1ASMAD3
SCHEMBL26613924 0.76 LMNA (0.47) ATMSMN1; SMN2ALDH1A1KDM1ASMAD3
SCHEMBL29429161 0.76 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KDM1ASMAD3APAF1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 EP disclosed